5-methyl-4-(2-methylbutyl)-1H-pyrazole

C9H16N2 — CID 118581492

IUPAC5-methyl-4-(2-methylbutyl)-1H-pyrazole
SMILESCCC(C)Cc1cn[nH]c1C
InChIInChI=1S/C9H16N2/c1-4-7(2)5-9-6-10-11-8(9)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRYYQXRESIKTOR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.31
Rot. Bonds3

About 5-methyl-4-(2-methylbutyl)-1H-pyrazole

5-methyl-4-(2-methylbutyl)-1H-pyrazole (PubChem CID 118581492) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-4-(2-methylbutyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-(2-methylbutyl)-1H-pyrazole
PubChem CID118581492
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-methyl-4-(2-methylbutyl)-1H-pyrazole
SMILESCCC(C)Cc1cn[nH]c1C
InChIInChI=1S/C9H16N2/c1-4-7(2)5-9-6-10-11-8(9)3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyHRYYQXRESIKTOR-UHFFFAOYSA-N
XLogP2.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylbutyl)-1H-pyrazole?
The IUPAC name of 5-methyl-4-(2-methylbutyl)-1H-pyrazole (CID 118581492) is 5-methyl-4-(2-methylbutyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-(2-methylbutyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-4-(2-methylbutyl)-1H-pyrazole is CCC(C)Cc1cn[nH]c1C.
What is the InChIKey of 5-methyl-4-(2-methylbutyl)-1H-pyrazole?
The InChIKey is HRYYQXRESIKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-7(2)5-9-6-10-11-8(9)3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-methyl-4-(2-methylbutyl)-1H-pyrazole?
5-methyl-4-(2-methylbutyl)-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylbutyl)-1H-pyrazole is sourced from PubChem (CID 118581492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).